4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]benzamide CAS Name: 4-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]benzamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=C(C=C3)C(=O)N)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=C(C=C3)C(=O)N)Br

InChI

InChI=1S/C16H15BrN6O4/c1-21-13-11(14(26)22(2)16(21)27)20-15(17)23(13)7-10(24)19-9-5-3-8(4-6-9)12(18)25/h3-6H,7H2,1-2H3,(H2,18,25)(H,19,24)